Materials Data on Nb3Pd by Materials Project

doi:10.17188/1685613

Title: Materials Data on Nb3Pd by Materials Project

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Abstract

Nb3Pd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Pd atoms. Both Nb–Nb bond lengths are 2.92 Å. Both Nb–Pd bond lengths are 2.79 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.81 Å. Pd is bonded to four equivalent Nb atoms to form distorted edge-sharing PdNb4 cuboctahedra.

Publication Date:: 2020-05-04

Other Number(s):: mp-1220635

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nb-Pd; Nb3Pd; crystal structure

OSTI Identifier:: 1685613

DOI:: https://doi.org/10.17188/1685613

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                    Materials Data on Nb3Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685613.

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                    Materials Data on Nb3Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1685613

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                    2020.  
"Materials Data on Nb3Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1685613.  https://www.osti.gov/servlets/purl/1685613. Pub date:Mon May 04 04:00:00 UTC 2020

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@article{osti_1685613,

  title        = {Materials Data on Nb3Pd by Materials Project},

  
  abstractNote = {Nb3Pd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Pd atoms. Both Nb–Nb bond lengths are 2.92 Å. Both Nb–Pd bond lengths are 2.79 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.81 Å. Pd is bonded to four equivalent Nb atoms to form distorted edge-sharing PdNb4 cuboctahedra.},

  doi          = {10.17188/1685613},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685613

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